Improper¶

class sknano.core.atoms.Improper(*args, **kwargs)[source] [edit on github][source]¶

Class representation of improper angle between 4 Atom objects.

Parameters:	atoms – `list` of `Atom`s or an `Atoms` object. size* (`int`) – parent (Parent `Molecule`, if any.) – id (`int`) – check_operands (`bool`, optional) – degrees (`bool`, optional) –
Raises:	`TypeError` – if `atoms` is not a list of `Atom` objects or an `Atoms` object. `ValueError` – if len(atoms) != 4.

Attributes

`angle`	An alias for `Topology.measure`.
`atom1`	`Atom` 1 in `Improper`.
`atom2`	`Atom` 2 in `Improper`.
`atom3`	`Atom` 3 in `Improper`.
`atom4`	`Atom` 4 in `Improper`.
`atom_ids`	`Topology.atoms` `ids`.
`atoms`	`Atoms` in `TopologyCollection`.
`centroid`	`centroid` of `Topology.atoms`.
`fmtstr`	Format string.
`improper`	An alias for `Topology.measure`.
`measure`	Measure of topology.
`strain`	Strain in measure.

Methods

`compute_measure`()	Compute the bond angle, which is the measure of an `Angle`.
`compute_strain`(m0)	Compute topological strain in `Topology.measure`.
`rotate`(**kwargs)	Rotate the `Topology` by rotating the `atoms`.
`todict`()	Return `dict` of constructor parameters.

Attributes Summary

`atom1`	`Atom` 1 in `Improper`.
`atom2`	`Atom` 2 in `Improper`.
`atom3`	`Atom` 3 in `Improper`.
`atom4`	`Atom` 4 in `Improper`.
`improper`	An alias for `Topology.measure`.

Methods Summary

`compute_measure`()	Compute the bond angle, which is the measure of an `Angle`.
`todict`()	Return `dict` of constructor parameters.

Attributes Documentation

Methods Documentation

Compute the bond angle, which is the measure of an Angle.

Returns:
Return type:	`float`

todict()[source] [edit on github][source]¶: Return dict of constructor parameters.